AMBER Archive (2005)

Subject: RE: AMBER: ESP exceeds the MAXESP(20000),

From: Junmei Wang (jwang_at_encysive.com)
Date: Thu Nov 10 2005 - 09:37:05 CST

You don't need to change MAXESP. It is just for information. The program
reallocates memory itself.

Junmei

==================================================
Dr. Junmei Wang
Chemistry & Biophysics
Encysive Pharmaceuticals Inc.
7000 Fannin, Houston TX 77030
Tel: 713-578-6649
Email: jwang_at_encysive.com
http://amber.scripps.edu/antechamber/antechamber.html
==================================================

-----Original Message-----
From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf
Of nag raj
Sent: Thursday, November 10, 2005 4:37 AM
To: amber_at_scripps.edu
Subject: AMBER: ESP exceeds the MAXESP(20000),

Dear amber users,
                   When i ran espgen command, i got
the followong error.
"The number of the ESP exceeds the
MAXESP(20000),extend the size and reallocate the
memory"
My system has 46 atoms. In which file do i have to
change the MAXESP value?
          Thanks in advance.
              with regards
                 nagaraju

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